3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)aniline
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Basic information
- CAS
524040-12-8- Standard SMILES
COc1cc(N)ccc1-n1cnnn1- InChIKey
TUPYLXVIGMMVPZ-UHFFFAOYSA-N- Molecular formula
- C8H9N5O
- Average molar mass
- 191.19 g/mol
- Monoisotopic mass
- 191.08070993
Names & identifiers
- Preferred name
- 3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)aniline
- IUPAC
- 3-methoxy-4-(tetrazol-1-yl)aniline
- English name
- 3-Methoxy-4-tetrazol-1-yl-phenylamine
- Molecular formula
- C8H9N5O
- Molecular weight
- 191.19
Names & synonyms
3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)anilineRefChem:503116966-373-53-Methoxy-4-tetrazol-1-yl-phenylamine524040-12-83-methoxy-4-(tetrazol-1-yl)aniline3-methoxy-4-(1H-tetrazol-1-yl)anilineMFCD034088113-methoxy-4-(1,2,3,4-tetraazolyl)phenylamineOprea1_400596DTXSID80354654TUPYLXVIGMMVPZ-UHFFFAOYSA-N
Show more names
3-methoxy-4-(1-tetrazolyl)aniline3-methoxy-4-(1,2,3,4-tetrazol-1-yl)anilineBenzenamine, 3-methoxy-4-(1H-tetrazol-1-yl)-
ALBB-005634SBB028113STK5035103-methoxy-4-tetrazol-1-ylphenylamineAKOS000134003ST083318VS-09538CS-0249301
Database identifiers
- CAS
524040-12-8- PubChem CID
- 778173
- DTXSID
DTXSID80354654- EC Number
- 966-373-5
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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